#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfg n SER 2 N 0.00 -6.29 -4.67 1.61 7.64 -1.26 -4.68 113.62 105.97 1wfg n SER 2 Ca 0.00 0.26 -0.48 0.00 1.01 0.00 0.00 58.87 59.66 1wfg n SER 2 Cb 0.00 -1.76 -0.05 0.00 -1.01 0.00 0.00 64.21 61.39 1wfg n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wfg n SER 3 N 0.79 3.05 -0.93 6.43 3.41 -1.26 -4.93 113.62 120.18 1wfg n SER 3 Ca -0.03 1.04 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 1wfg n SER 3 Cb 0.54 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 1wfg n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfg n GLY 4 N 3.77 3.60 3.32 5.00 0.00 -1.26 -5.16 105.19 114.45 1wfg n GLY 4 Ca 0.20 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 1wfg n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfg s SER 5 N -0.85 3.49 -0.19 1.61 1.04 -1.26 -5.03 113.70 112.51 1wfg s SER 5 Ca 0.00 -0.42 -0.17 0.00 0.48 0.00 0.00 55.95 55.84 1wfg s SER 5 Cb 0.00 -1.20 -0.07 0.00 0.10 0.00 0.00 66.02 64.85 1wfg s SER 5 CO 0.00 0.22 -0.34 -0.24 0.98 0.00 0.00 173.24 173.86 1wfg n SER 6 N 3.16 1.93 0.00 7.02 2.88 -1.26 -5.12 113.62 122.24 1wfg n SER 6 Ca -0.18 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1wfg n SER 6 Cb 0.52 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1wfg n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfg n GLY 7 N 1.45 0.16 3.10 0.46 0.00 -1.26 -5.07 105.19 104.02 1wfg n GLY 7 Ca -0.18 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 1wfg n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wfg n HIS 8 N 0.00 -2.79 -4.51 1.61 -0.00 -1.26 -5.00 115.22 103.27 1wfg n HIS 8 Ca 0.00 0.28 -0.24 0.00 -0.00 0.00 0.00 57.72 57.76 1wfg n HIS 8 Cb 0.00 -1.48 -0.11 0.00 -0.00 0.00 0.00 29.99 28.40 1wfg n HIS 8 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1wfg s SER 9 N -1.26 3.06 0.33 0.41 0.15 -1.26 -5.13 113.70 110.00 1wfg s SER 9 Ca 0.43 -1.31 -0.27 0.00 0.70 0.00 0.00 55.95 55.50 1wfg s SER 9 Cb -0.07 -0.23 -0.09 0.00 -1.71 0.00 0.00 66.02 63.92 1wfg s SER 9 CO 0.72 -0.46 1.04 -1.00 1.20 0.00 0.00 173.24 174.75 1wfg s HIS 10 N -2.98 3.53 -0.35 3.44 0.09 -1.26 -4.98 115.29 112.77 1wfg s HIS 10 Ca 0.34 1.72 -0.03 0.00 -0.00 0.00 0.00 55.06 57.09 1wfg s HIS 10 Cb 0.07 -3.14 0.25 0.00 -0.00 0.00 0.00 32.58 29.77 1wfg s HIS 10 CO 0.16 -0.35 1.15 0.45 -0.00 0.00 0.00 174.74 176.15 1wfg n SER 11 N 0.65 -1.54 -3.54 1.40 2.88 -1.26 -5.07 113.62 107.14 1wfg n SER 11 Ca 0.02 -1.65 -0.27 0.00 -1.33 0.00 0.00 58.87 55.64 1wfg n SER 11 Cb 0.48 0.83 -0.09 0.00 -0.75 0.00 0.00 64.21 64.68 1wfg n SER 11 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1wfg n ASP 12 N 1.94 2.80 0.00 -3.46 5.75 -1.26 -5.01 116.55 117.30 1wfg n ASP 12 Ca 0.06 -3.21 0.00 0.00 -0.01 0.00 0.00 54.79 51.63 1wfg n ASP 12 Cb 0.68 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1wfg n ASP 12 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1wfg n LYS 13 N 1.40 0.00 -3.63 0.11 5.02 -1.26 -4.94 118.16 114.86 1wfg n LYS 13 Ca 0.26 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.19 1wfg n LYS 13 Cb 0.41 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.37 1wfg n LYS 13 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1wfg s HIS 14 N 0.00 3.62 0.10 2.13 3.76 -1.26 -5.00 115.29 118.64 1wfg s HIS 14 Ca 0.00 0.76 -0.10 0.00 -0.15 0.00 0.00 55.06 55.57 1wfg s HIS 14 Cb 0.00 -2.13 -0.15 0.00 1.11 0.00 0.00 32.58 31.41 1wfg s HIS 14 CO 0.00 0.60 1.27 -1.00 -0.85 0.00 0.00 174.74 174.76 1wfg h PRO 15 N 4.16 0.64 -5.48 8.40 0.13 -1.92 -3.44 132.00 134.49 1wfg h PRO 15 Ca -0.51 -0.62 -0.64 0.00 -0.87 0.00 0.00 66.00 63.36 1wfg h PRO 15 Cb 1.20 0.16 -0.13 0.00 0.13 0.00 0.00 31.00 32.36 1wfg h PRO 15 CO 0.64 1.23 -0.55 0.08 -0.23 0.00 0.00 178.00 179.17 1wfg s VAL 16 N -3.45 4.91 -0.13 1.56 1.01 -1.26 -2.29 120.40 120.74 1wfg s VAL 16 Ca -0.09 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 1wfg s VAL 16 Cb 0.08 -3.17 0.06 0.00 0.00 0.00 0.00 36.38 33.34 1wfg s VAL 16 CO 0.90 0.52 0.30 0.42 0.00 0.00 0.00 175.10 177.24 1wfg s THR 17 N -0.16 -0.17 -0.26 3.92 -4.23 -0.99 -4.96 115.64 108.78 1wfg s THR 17 Ca 0.08 0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.78 1wfg s THR 17 Cb -0.12 -0.46 0.06 0.00 1.34 0.00 0.00 72.50 73.32 1wfg s THR 17 CO 0.01 0.07 -0.07 0.26 -0.54 0.00 0.00 174.62 174.35 1wfg s TRP 18 N 1.67 2.95 0.05 3.99 0.52 -1.26 0.11 118.94 126.97 1wfg s TRP 18 Ca -0.06 -2.15 0.01 0.00 0.02 0.00 0.00 56.10 53.92 1wfg s TRP 18 Cb -0.10 -1.87 -0.03 0.00 -1.15 0.00 0.00 33.47 30.32 1wfg s TRP 18 CO -0.10 -0.85 -0.06 -0.65 0.02 0.00 0.00 176.95 175.32 1wfg s GLN 19 N 1.21 0.54 0.74 4.98 1.11 0.12 -4.99 119.66 123.37 1wfg s GLN 19 Ca -0.06 -0.89 -0.11 0.00 0.01 0.00 0.00 55.36 54.31 1wfg s GLN 19 Cb -0.19 -0.10 0.04 0.00 -1.01 0.00 0.00 33.01 31.75 1wfg s GLN 19 CO -0.06 -0.01 1.08 -1.25 0.01 0.00 0.00 175.29 175.06 1wfg s PRO 20 N -2.28 2.55 1.28 2.91 0.04 -1.26 0.10 135.00 138.33 1wfg s PRO 20 Ca -0.05 0.81 -0.19 0.00 0.04 0.00 0.00 61.00 61.60 1wfg s PRO 20 Cb -0.05 -1.96 0.31 0.00 0.04 0.00 0.00 34.50 32.85 1wfg s PRO 20 CO -0.02 -1.34 1.02 -1.54 0.04 0.00 0.00 177.00 175.16 1wfg s SER 21 N -3.85 0.19 0.20 6.66 1.04 0.38 -4.67 113.70 113.65 1wfg s SER 21 Ca 0.59 0.89 -0.19 0.00 0.48 0.00 0.00 55.95 57.72 1wfg s SER 21 Cb -0.14 -1.29 0.16 0.00 0.10 0.00 0.00 66.02 64.85 1wfg s SER 21 CO 0.55 -4.60 1.59 0.50 0.98 0.00 0.00 173.24 172.26 1wfg h LYS 22 N -2.90 -0.12 0.00 4.02 1.63 -1.96 -3.25 116.57 113.99 1wfg h LYS 22 Ca -0.48 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1wfg h LYS 22 Cb 1.32 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 1wfg h LYS 22 CO 0.36 -0.08 0.00 -0.25 -3.45 0.00 0.00 179.45 176.03 1wfg n ASP 23 N -5.44 0.00 0.00 4.20 8.00 -1.26 -5.01 116.55 117.03 1wfg n ASP 23 Ca 0.05 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1wfg n ASP 23 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1wfg n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wfg n GLY 24 N 1.15 0.00 0.62 0.44 0.00 -1.23 -5.06 105.19 101.12 1wfg n GLY 24 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1wfg n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wfg n ASP 25 N 0.00 1.42 -4.86 1.61 9.92 -1.26 -4.94 116.55 118.43 1wfg n ASP 25 Ca 0.00 0.01 -0.36 0.00 -0.53 0.00 0.00 54.79 53.91 1wfg n ASP 25 Cb 0.00 -0.04 -0.06 0.00 -0.64 0.00 0.00 41.12 40.38 1wfg n ASP 25 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1wfg s ARG 26 N -2.03 3.70 -0.42 -1.24 1.81 -1.26 0.20 118.95 119.70 1wfg s ARG 26 Ca -0.02 0.13 -0.10 0.00 -1.72 0.00 0.00 55.73 54.02 1wfg s ARG 26 Cb 0.01 -3.13 0.08 0.00 -0.45 0.00 0.00 34.95 31.45 1wfg s ARG 26 CO 0.03 0.67 0.27 -1.17 -0.68 0.00 0.00 175.30 174.42 1wfg s LEU 27 N -1.41 5.20 -0.01 2.53 1.98 0.37 0.14 118.68 127.48 1wfg s LEU 27 Ca 0.25 -1.51 -0.24 0.00 -2.89 0.00 0.00 54.13 49.75 1wfg s LEU 27 Cb -0.14 -2.00 -0.05 0.00 0.66 0.00 0.00 46.19 44.66 1wfg s LEU 27 CO 0.13 -0.55 0.71 -0.63 -1.89 0.00 0.00 176.35 174.13 1wfg s ILE 28 N 1.44 4.90 0.04 6.68 -1.09 0.28 0.21 121.20 133.65 1wfg s ILE 28 Ca 0.03 1.50 0.06 0.00 -2.23 0.00 0.00 60.65 60.01 1wfg s ILE 28 Cb -0.23 -4.06 -0.02 0.00 -1.58 0.00 0.00 42.46 36.57 1wfg s ILE 28 CO 0.02 0.32 -0.18 -0.83 -1.23 0.00 0.00 174.94 173.05 1wfg s GLY 29 N 0.31 0.97 0.07 6.18 0.00 0.11 0.16 107.32 115.11 1wfg s GLY 29 Ca 0.37 -0.95 0.09 0.00 0.00 0.00 0.00 44.72 44.24 1wfg s GLY 29 CO 0.20 -0.90 -0.25 0.50 0.00 0.00 0.00 173.10 172.65 1wfg s ARG 30 N -1.15 1.73 -0.19 2.90 0.52 0.29 -0.16 118.95 122.90 1wfg s ARG 30 Ca 0.05 -1.16 -0.05 0.00 -0.52 0.00 0.00 55.73 54.05 1wfg s ARG 30 Cb -0.08 -1.99 0.06 0.00 0.52 0.00 0.00 34.95 33.46 1wfg s ARG 30 CO 0.02 0.50 0.09 0.42 0.02 0.00 0.00 175.30 176.35 1wfg s ILE 31 N -0.89 -0.04 -0.30 1.52 1.09 -0.81 -2.34 121.20 119.43 1wfg s ILE 31 Ca 0.13 -0.26 -0.10 0.00 -1.10 0.00 0.00 60.65 59.32 1wfg s ILE 31 Cb -0.10 -0.65 -0.01 0.00 -1.06 0.00 0.00 42.46 40.63 1wfg s ILE 31 CO 0.04 -0.33 0.15 -0.22 -0.10 0.00 0.00 174.94 174.48 1wfg s LEU 32 N 2.11 4.03 -0.07 2.97 2.96 -0.97 0.68 118.68 130.39 1wfg s LEU 32 Ca 0.03 -0.42 -0.06 0.00 -0.22 0.00 0.00 54.13 53.45 1wfg s LEU 32 Cb -0.16 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1wfg s LEU 32 CO -0.12 -0.16 0.17 -0.76 -1.32 0.00 0.00 176.35 174.16 1wfg s LEU 33 N 1.63 4.39 -0.06 -0.68 2.01 0.43 -4.80 118.68 121.60 1wfg s LEU 33 Ca 0.05 0.45 -0.02 0.00 0.01 0.00 0.00 54.13 54.63 1wfg s LEU 33 Cb -0.17 -2.31 0.03 0.00 0.01 0.00 0.00 46.19 43.76 1wfg s LEU 33 CO 0.07 0.35 0.04 0.21 1.01 0.00 0.00 176.35 178.02 1wfg s ASN 34 N -1.37 1.39 0.00 2.29 3.84 -1.26 -0.15 114.94 119.68 1wfg s ASN 34 Ca 0.20 -0.03 0.14 0.00 0.21 0.00 0.00 52.86 53.39 1wfg s ASN 34 Cb -0.12 -0.27 -0.09 0.00 -0.55 0.00 0.00 41.25 40.22 1wfg s ASN 34 CO 0.10 -0.23 0.69 2.29 -2.79 0.00 0.00 177.10 177.15 1wfg n LYS 35 N 5.24 2.12 -1.65 0.43 0.00 -1.08 -4.98 118.16 118.23 1wfg n LYS 35 Ca -0.05 -0.33 -0.54 0.00 -0.00 0.00 0.00 58.31 57.39 1wfg n LYS 35 Cb 0.50 -1.19 -0.07 0.00 -0.00 0.00 0.00 35.03 34.27 1wfg n LYS 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wfg n ARG 36 N -0.82 1.34 -0.70 -1.58 1.74 -1.23 -4.68 116.66 110.73 1wfg n ARG 36 Ca 0.04 0.47 -0.28 0.00 -0.77 0.00 0.00 57.85 57.32 1wfg n ARG 36 Cb 0.26 -2.28 0.12 0.00 -1.02 0.00 0.00 32.46 29.55 1wfg n ARG 36 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wfg n LEU 37 N 6.55 -2.18 0.30 0.55 4.77 0.15 -4.62 117.00 122.51 1wfg n LEU 37 Ca 0.29 -0.17 0.18 0.00 -0.03 0.00 0.00 56.01 56.28 1wfg n LEU 37 Cb 0.18 -0.77 0.92 0.00 -2.33 0.00 0.00 43.42 41.42 1wfg n LEU 37 CO 0.79 -2.93 1.07 0.50 -1.33 0.00 0.00 177.39 175.49 1wfg h LYS 38 N -2.02 0.00 -1.00 3.23 3.64 -1.90 -0.29 116.57 118.23 1wfg h LYS 38 Ca -0.39 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.51 1wfg h LYS 38 Cb 1.11 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 32.65 1wfg h LYS 38 CO 0.25 0.03 0.61 -0.25 -2.27 0.00 0.00 179.45 177.83 1wfg n ASP 39 N -3.28 3.71 -3.82 4.20 8.00 -1.26 -4.91 116.55 119.19 1wfg n ASP 39 Ca -0.02 -3.50 -0.36 0.00 0.71 0.00 0.00 54.79 51.62 1wfg n ASP 39 Cb 0.18 -0.82 0.03 0.00 -0.02 0.00 0.00 41.12 40.50 1wfg n ASP 39 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wfg n GLY 40 N -1.04 -0.89 3.38 0.44 0.00 -0.12 -4.98 105.19 101.99 1wfg n GLY 40 Ca 0.56 0.40 -0.08 0.00 0.00 0.00 0.00 46.02 46.90 1wfg n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfg s SER 41 N -3.55 -0.59 0.07 1.61 1.04 -1.25 -4.84 113.70 106.19 1wfg s SER 41 Ca 0.45 1.11 -0.28 0.00 0.48 0.00 0.00 55.95 57.71 1wfg s SER 41 Cb -0.19 1.22 -0.05 0.00 0.10 0.00 0.00 66.02 67.10 1wfg s SER 41 CO 0.90 -0.22 0.87 -0.69 0.98 0.00 0.00 173.24 175.08 1wfg s VAL 42 N 1.96 4.64 0.93 5.02 1.01 -1.26 0.30 120.40 133.00 1wfg s VAL 42 Ca -0.07 1.86 -0.13 0.00 0.00 0.00 0.00 61.98 63.65 1wfg s VAL 42 Cb -0.09 -4.23 0.15 0.00 0.00 0.00 0.00 36.38 32.21 1wfg s VAL 42 CO -0.15 0.32 1.15 -2.16 0.00 0.00 0.00 175.10 174.26 1wfg s PRO 43 N 0.08 0.97 0.44 2.72 0.04 -1.26 -4.88 135.00 133.11 1wfg s PRO 43 Ca 0.43 0.22 0.30 0.00 0.04 0.00 0.00 61.00 62.00 1wfg s PRO 43 Cb -0.22 -1.83 1.45 0.00 0.04 0.00 0.00 34.50 33.94 1wfg s PRO 43 CO 0.26 -2.30 1.60 0.00 0.04 0.00 0.00 177.00 176.61 1wfg h ARG 44 N -1.57 0.05 -0.18 4.56 -0.00 -2.02 -3.37 114.38 111.85 1wfg h ARG 44 Ca -0.50 -0.00 0.25 0.00 -0.50 0.00 0.00 59.98 59.23 1wfg h ARG 44 Cb 1.32 -0.01 -0.20 0.00 0.00 0.00 0.00 29.97 31.08 1wfg h ARG 44 CO 0.59 0.03 0.13 0.16 0.00 0.00 0.00 179.97 180.88 1wfg s ASP 45 N -4.41 -0.27 -0.17 7.04 1.47 -1.26 -5.07 116.67 114.01 1wfg s ASP 45 Ca -0.08 0.10 -0.14 0.00 1.18 0.00 0.00 52.55 53.61 1wfg s ASP 45 Cb 0.31 1.20 -0.10 0.00 -0.34 0.00 0.00 42.92 43.98 1wfg s ASP 45 CO 0.82 -0.05 0.03 -1.28 0.68 0.00 0.00 175.17 175.37 1wfg h SER 46 N 7.62 0.00 -0.22 2.11 0.87 -1.95 -3.47 113.55 118.51 1wfg h SER 46 Ca -0.11 -0.24 -0.08 0.00 -1.23 0.00 0.00 61.79 60.13 1wfg h SER 46 Cb 1.18 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.99 1wfg h SER 46 CO -0.15 1.04 -0.22 0.61 -0.53 0.00 0.00 176.83 177.59 1wfg n GLY 47 N 1.55 -1.26 0.32 5.77 0.00 -1.26 -5.00 105.19 105.31 1wfg n GLY 47 Ca -0.17 0.88 0.09 0.00 0.00 0.00 0.00 46.02 46.82 1wfg n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfg h ALA 48 N 3.94 1.40 -0.08 4.61 0.00 -1.92 1.32 119.26 128.53 1wfg h ALA 48 Ca -0.10 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wfg h ALA 48 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1wfg h ALA 48 CO -0.05 -0.11 0.00 -1.33 0.00 0.00 0.00 179.25 177.76 1wfg n MET 49 N -4.87 1.22 0.00 0.00 2.81 -1.26 -4.72 117.12 110.30 1wfg n MET 49 Ca 0.19 -0.33 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 1wfg n MET 49 Cb 0.50 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 1wfg n MET 49 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1wfg n LEU 50 N -0.32 0.00 0.00 4.03 7.99 0.45 -3.13 117.00 126.02 1wfg n LEU 50 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.08 1wfg n LEU 50 Cb 0.10 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 1wfg n LEU 50 CO 0.06 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.55 1wfg n GLY 51 N 0.00 0.64 3.96 -0.72 0.00 -1.26 -3.24 105.19 104.57 1wfg n GLY 51 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 1wfg n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wfg s LEU 52 N 0.00 3.97 -0.20 0.99 -0.00 -1.18 -1.80 118.68 120.45 1wfg s LEU 52 Ca 0.00 0.17 -0.05 0.00 -0.00 0.00 0.00 54.13 54.25 1wfg s LEU 52 Cb 0.00 -3.04 -0.02 0.00 -0.00 0.00 0.00 46.19 43.12 1wfg s LEU 52 CO 0.00 -0.39 0.01 -0.75 -0.00 0.00 0.00 176.35 175.22 1wfg s LYS 53 N -4.27 3.63 -0.12 1.48 2.20 0.94 -4.91 119.74 118.69 1wfg s LYS 53 Ca 0.42 -0.51 -0.04 0.00 -0.36 0.00 0.00 55.97 55.48 1wfg s LYS 53 Cb -0.10 -3.10 -0.03 0.00 -1.51 0.00 0.00 37.83 33.09 1wfg s LYS 53 CO 0.34 0.00 0.02 0.08 -0.36 0.00 0.00 175.35 175.43 1wfg s VAL 54 N 1.04 4.46 -0.22 4.02 1.01 -1.26 -1.32 120.40 128.12 1wfg s VAL 54 Ca 0.02 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1wfg s VAL 54 Cb -0.14 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.37 1wfg s VAL 54 CO 0.02 0.56 -0.10 -0.69 0.00 0.00 0.00 175.10 174.88 1wfg s VAL 55 N -0.46 1.83 0.34 2.92 1.01 -1.03 -4.96 120.40 120.05 1wfg s VAL 55 Ca 0.09 -1.25 0.05 0.00 0.00 0.00 0.00 61.98 60.86 1wfg s VAL 55 Cb -0.12 -1.93 0.05 0.00 0.00 0.00 0.00 36.38 34.38 1wfg s VAL 55 CO 0.02 0.09 0.37 0.61 0.00 0.00 0.00 175.10 176.19 1wfg n GLY 56 N 4.59 2.38 2.83 4.51 0.00 -1.26 -2.29 105.19 115.94 1wfg n GLY 56 Ca -0.15 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.66 1wfg n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfg n GLY 57 N 0.86 0.16 3.68 -0.02 0.00 -1.17 -3.96 105.19 104.74 1wfg n GLY 57 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1wfg n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wfg s LYS 58 N -1.34 4.24 -0.49 1.61 2.20 -1.25 -4.58 119.74 120.13 1wfg s LYS 58 Ca 0.00 2.08 -0.28 0.00 -0.36 0.00 0.00 55.97 57.41 1wfg s LYS 58 Cb 0.00 -3.69 0.03 0.00 -1.51 0.00 0.00 37.83 32.66 1wfg s LYS 58 CO 0.00 -0.68 1.11 1.41 -0.36 0.00 0.00 175.35 176.82 1wfg s MET 59 N 2.90 3.67 0.00 4.03 -2.45 -1.26 -2.80 119.30 123.39 1wfg s MET 59 Ca 0.68 0.46 0.00 0.00 -1.25 0.00 0.00 55.69 55.58 1wfg s MET 59 Cb -0.33 -3.92 0.00 0.00 1.25 0.00 0.00 34.83 31.82 1wfg s MET 59 CO 0.28 -1.39 0.00 0.25 1.05 0.00 0.00 175.02 175.21 1wfg n THR 60 N 6.77 0.00 1.15 10.11 -2.24 0.51 -4.93 114.28 125.65 1wfg n THR 60 Ca 0.11 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.01 1wfg n THR 60 Cb 0.49 -1.10 0.35 0.00 -2.10 0.00 0.00 70.33 67.97 1wfg n THR 60 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wfg n GLU 61 N -0.77 1.94 -0.09 -0.78 0.28 -1.26 -3.63 120.64 116.33 1wfg n GLU 61 Ca 0.00 -1.39 0.06 0.00 -0.16 0.00 0.00 57.16 55.67 1wfg n GLU 61 Cb 0.00 -1.46 0.11 0.00 1.43 0.00 0.00 31.44 31.52 1wfg n GLU 61 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1wfg n SER 62 N 0.65 2.49 -0.02 -1.84 2.88 -1.26 -4.94 113.62 111.58 1wfg n SER 62 Ca 0.17 -1.75 -0.00 0.00 -1.33 0.00 0.00 58.87 55.96 1wfg n SER 62 Cb 0.44 -0.12 -0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1wfg n SER 62 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfg n GLY 63 N 0.62 0.47 3.96 0.46 0.00 -1.24 -5.02 105.19 104.44 1wfg n GLY 63 Ca 0.10 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 1wfg n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfg s ARG 64 N -0.41 2.74 0.04 1.61 1.81 -1.26 -4.86 118.95 118.61 1wfg s ARG 64 Ca 0.00 -1.33 0.06 0.00 -1.72 0.00 0.00 55.73 52.74 1wfg s ARG 64 Cb 0.00 -2.63 -0.03 0.00 -0.45 0.00 0.00 34.95 31.84 1wfg s ARG 64 CO 0.00 -0.22 -0.13 -0.51 -0.68 0.00 0.00 175.30 173.76 1wfg s LEU 65 N -4.26 2.87 -0.14 2.53 1.43 -1.26 -0.36 118.68 119.49 1wfg s LEU 65 Ca 0.52 -0.32 -0.25 0.00 -1.03 0.00 0.00 54.13 53.05 1wfg s LEU 65 Cb -0.08 -1.67 0.06 0.00 0.03 0.00 0.00 46.19 44.54 1wfg s LEU 65 CO 0.31 0.25 0.61 0.00 0.23 0.00 0.00 176.35 177.76 1wfg s ALA 67 N -0.43 3.54 0.04 0.00 0.00 -1.26 -3.82 121.76 119.83 1wfg s ALA 67 Ca -0.06 -0.43 0.07 0.00 0.00 0.00 0.00 51.96 51.53 1wfg s ALA 67 Cb -0.03 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 1wfg s ALA 67 CO 0.05 -0.24 -0.19 -0.06 0.00 0.00 0.00 175.76 175.33 1wfg s PHE 68 N 1.17 1.63 0.06 0.00 0.08 -0.97 -1.69 117.98 118.25 1wfg s PHE 68 Ca 0.21 -0.37 -0.31 0.00 0.12 0.00 0.00 56.93 56.59 1wfg s PHE 68 Cb -0.15 -0.97 -0.06 0.00 -0.57 0.00 0.00 43.02 41.27 1wfg s PHE 68 CO 0.08 0.08 1.32 0.42 -0.10 0.00 0.00 175.22 177.02 1wfg s ILE 69 N -0.82 3.70 -0.20 0.64 1.01 -0.63 -2.46 121.20 122.44 1wfg s ILE 69 Ca 0.06 1.18 -0.16 0.00 0.00 0.00 0.00 60.65 61.72 1wfg s ILE 69 Cb -0.08 -3.76 -0.11 0.00 0.01 0.00 0.00 42.46 38.51 1wfg s ILE 69 CO 0.02 0.06 -0.08 0.35 0.00 0.00 0.00 174.94 175.29 1wfg n THR 70 N 4.19 1.49 -3.89 2.92 -2.24 -0.44 -1.34 114.28 114.98 1wfg n THR 70 Ca 0.11 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.80 1wfg n THR 70 Cb 0.44 -2.16 -0.09 0.00 -2.10 0.00 0.00 70.33 66.43 1wfg n THR 70 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1wfg s LYS 71 N -2.42 0.66 -0.11 -0.78 2.20 -1.23 -4.66 119.74 113.39 1wfg s LYS 71 Ca -0.26 -0.74 -0.00 0.00 -0.36 0.00 0.00 55.97 54.60 1wfg s LYS 71 Cb 0.06 0.26 0.02 0.00 -1.51 0.00 0.00 37.83 36.67 1wfg s LYS 71 CO 0.44 -0.18 -0.08 0.08 -0.36 0.00 0.00 175.35 175.26 1wfg s VAL 72 N -2.77 1.03 0.24 4.02 1.01 -1.26 -0.04 120.40 122.63 1wfg s VAL 72 Ca -0.04 -0.29 -0.31 0.00 0.00 0.00 0.00 61.98 61.34 1wfg s VAL 72 Cb -0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 36.38 35.22 1wfg s VAL 72 CO -0.05 0.37 1.66 -0.75 0.00 0.00 0.00 175.10 176.33 1wfg s LYS 73 N 1.70 4.13 -0.62 2.72 2.47 -0.74 -4.90 119.74 124.49 1wfg s LYS 73 Ca 0.05 2.58 -0.27 0.00 -1.56 0.00 0.00 55.97 56.77 1wfg s LYS 73 Cb -0.13 -3.06 0.03 0.00 -1.46 0.00 0.00 37.83 33.22 1wfg s LYS 73 CO -0.08 -0.70 1.19 0.21 0.16 0.00 0.00 175.35 176.13 1wfg s LYS 74 N 0.53 3.41 0.00 4.03 2.20 -1.26 -3.31 119.74 125.34 1wfg s LYS 74 Ca 0.70 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.37 1wfg s LYS 74 Cb -0.49 -4.06 0.00 0.00 -1.51 0.00 0.00 37.83 31.77 1wfg s LYS 74 CO 0.38 -1.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.00 1wfg n GLY 75 N 5.15 1.03 3.36 5.54 0.00 -1.26 -5.10 105.19 113.91 1wfg n GLY 75 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 1wfg n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfg s SER 76 N -2.00 1.83 0.06 1.61 0.15 -1.21 -4.91 113.70 109.24 1wfg s SER 76 Ca 0.00 -1.30 -0.12 0.00 0.70 0.00 0.00 55.95 55.23 1wfg s SER 76 Cb 0.00 0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.30 1wfg s SER 76 CO 0.00 -0.58 1.21 -0.07 1.20 0.00 0.00 173.24 174.99 1wfg h LEU 77 N 2.36 -0.81 -5.67 3.45 -0.00 -1.89 0.94 115.31 113.68 1wfg h LEU 77 Ca -0.39 0.12 -0.45 0.00 -0.00 0.00 0.00 57.88 57.16 1wfg h LEU 77 Cb 1.23 0.36 0.02 0.00 -0.00 0.00 0.00 40.66 42.27 1wfg h LEU 77 CO 0.65 -0.10 2.58 0.00 -0.00 0.00 0.00 178.44 181.57 1wfg n ALA 78 N -3.06 4.47 0.00 1.53 0.00 -1.26 -0.83 120.51 121.36 1wfg n ALA 78 Ca 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 53.44 51.10 1wfg n ALA 78 Cb 0.10 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.40 1wfg n ALA 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wfg n ASP 79 N 4.95 0.00 0.08 0.00 -0.08 -0.26 -3.93 116.55 117.30 1wfg n ASP 79 Ca 0.46 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.59 1wfg n ASP 79 Cb 0.20 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.52 1wfg n ASP 79 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1wfg h THR 80 N 0.00 1.34 0.00 5.18 1.35 0.12 -2.68 112.91 118.22 1wfg h THR 80 Ca 0.00 -2.96 -0.15 0.00 -0.55 0.00 0.00 66.41 62.75 1wfg h THR 80 Cb 0.00 2.84 -0.03 0.00 -1.73 0.00 0.00 68.15 69.23 1wfg h THR 80 CO 0.00 0.85 -1.57 1.33 -0.25 0.00 0.00 175.52 175.88 1wfg n VAL 81 N -3.46 0.57 0.10 6.82 0.24 -0.34 -4.69 118.33 117.57 1wfg n VAL 81 Ca -0.12 -0.21 -0.18 0.00 -2.04 0.00 0.00 64.34 61.79 1wfg n VAL 81 Cb 1.03 -0.96 -0.14 0.00 -1.47 0.00 0.00 33.84 32.29 1wfg n VAL 81 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1wfg h GLY 82 N 0.60 0.37 -0.48 7.63 0.00 -1.20 -3.45 103.07 106.55 1wfg h GLY 82 Ca -0.23 -0.95 -0.20 0.00 0.00 0.00 0.00 47.33 45.95 1wfg h GLY 82 CO -0.05 0.83 -0.19 1.42 0.00 0.00 0.00 176.54 178.55 1wfg n HIS 83 N -3.55 0.00 -0.70 5.60 -0.00 -1.01 -4.68 115.22 110.88 1wfg n HIS 83 Ca -0.13 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.28 1wfg n HIS 83 Cb 1.05 -2.63 0.14 0.00 -0.00 0.00 0.00 29.99 28.56 1wfg n HIS 83 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1wfg n LEU 84 N -1.14 -2.28 -3.75 2.41 4.77 -1.25 -4.80 117.00 110.96 1wfg n LEU 84 Ca -0.10 -0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 55.60 1wfg n LEU 84 Cb 0.57 -0.84 -0.07 0.00 -2.33 0.00 0.00 43.42 40.75 1wfg n LEU 84 CO 0.15 -3.00 0.04 -0.13 -1.33 0.00 0.00 177.39 173.12 1wfg s ARG 85 N -3.20 0.82 -0.34 3.23 0.52 -1.26 -4.71 118.95 114.01 1wfg s ARG 85 Ca 0.49 -0.50 -0.29 0.00 -0.52 0.00 0.00 55.73 54.91 1wfg s ARG 85 Cb -0.07 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.76 1wfg s ARG 85 CO 0.60 -0.27 1.37 -1.25 0.02 0.00 0.00 175.30 175.77 1wfg s PRO 86 N -2.59 3.76 0.00 3.54 0.04 -1.26 -3.09 135.00 135.40 1wfg s PRO 86 Ca -0.05 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1wfg s PRO 86 Cb -0.01 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1wfg s PRO 86 CO -0.04 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 176.09 1wfg n GLY 87 N 4.67 0.65 3.19 0.56 0.00 -0.45 -4.95 105.19 108.87 1wfg n GLY 87 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1wfg n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wfg n ASP 88 N 0.00 -0.27 -3.71 1.61 8.00 -1.18 -4.77 116.55 116.24 1wfg n ASP 88 Ca 0.00 -1.34 -0.25 0.00 0.71 0.00 0.00 54.79 53.90 1wfg n ASP 88 Cb 0.00 -0.85 -0.17 0.00 -0.02 0.00 0.00 41.12 40.08 1wfg n ASP 88 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1wfg s GLU 89 N -5.38 0.44 -0.70 -1.24 2.12 -1.26 -1.61 118.70 111.06 1wfg s GLU 89 Ca 0.63 -0.14 -0.27 0.00 0.36 0.00 0.00 54.97 55.55 1wfg s GLU 89 Cb -0.02 -1.62 0.02 0.00 0.26 0.00 0.00 34.13 32.76 1wfg s GLU 89 CO 0.45 -0.54 1.40 0.08 -0.54 0.00 0.00 175.26 176.11 1wfg s VAL 90 N 1.98 3.65 0.02 3.70 1.01 -0.68 -2.69 120.40 127.40 1wfg s VAL 90 Ca 0.02 0.39 -0.28 0.00 0.00 0.00 0.00 61.98 62.10 1wfg s VAL 90 Cb -0.15 -4.70 -0.16 0.00 0.00 0.00 0.00 36.38 31.37 1wfg s VAL 90 CO -0.07 -1.63 1.20 -0.07 0.00 0.00 0.00 175.10 174.53 1wfg h LEU 91 N 13.71 -0.81 -9.53 3.92 -0.00 0.35 -3.40 115.31 119.55 1wfg h LEU 91 Ca -0.27 0.01 -0.62 0.00 -0.00 0.00 0.00 57.88 57.00 1wfg h LEU 91 Cb 1.07 0.21 -0.13 0.00 -0.00 0.00 0.00 40.66 41.81 1wfg h LEU 91 CO 1.26 -0.44 -0.64 -1.61 -0.00 0.00 0.00 178.44 177.01 1wfg s GLU 92 N -4.91 1.88 -0.26 1.13 2.02 -0.60 0.45 118.70 118.42 1wfg s GLU 92 Ca -0.15 -2.02 -0.01 0.00 0.02 0.00 0.00 54.97 52.81 1wfg s GLU 92 Cb 0.02 -1.65 0.13 0.00 0.10 0.00 0.00 34.13 32.74 1wfg s GLU 92 CO 0.47 0.04 0.34 -0.46 0.02 0.00 0.00 175.26 175.67 1wfg s TRP 93 N -2.68 -0.70 -1.14 1.61 -0.11 0.13 -2.00 118.94 114.04 1wfg s TRP 93 Ca 0.34 0.41 0.00 0.00 1.22 0.00 0.00 56.10 58.07 1wfg s TRP 93 Cb 0.06 -0.18 0.00 0.00 -1.50 0.00 0.00 33.47 31.85 1wfg s TRP 93 CO 0.17 -0.80 0.00 0.09 -4.62 0.00 0.00 176.95 171.79 1wfg n ASN 94 N 5.34 -5.28 0.00 5.86 4.13 0.57 -0.32 115.26 125.56 1wfg n ASN 94 Ca -0.03 0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.50 1wfg n ASN 94 Cb 0.49 -3.72 0.00 0.00 -1.54 0.00 0.00 39.78 35.01 1wfg n ASN 94 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wfg n GLY 95 N -0.35 0.84 3.44 7.41 0.00 -1.26 -4.93 105.19 110.33 1wfg n GLY 95 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1wfg n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfg s ARG 96 N -0.81 3.12 0.19 1.61 1.81 0.56 -5.06 118.95 120.37 1wfg s ARG 96 Ca 0.00 -0.89 -0.31 0.00 -1.72 0.00 0.00 55.73 52.82 1wfg s ARG 96 Cb 0.00 -3.74 -0.10 0.00 -0.45 0.00 0.00 34.95 30.66 1wfg s ARG 96 CO 0.00 -0.58 1.47 -1.17 -0.68 0.00 0.00 175.30 174.34 1wfg s LEU 97 N 1.62 4.38 -0.04 2.53 2.96 -1.26 0.17 118.68 129.04 1wfg s LEU 97 Ca 0.04 2.56 0.21 0.00 -0.22 0.00 0.00 54.13 56.73 1wfg s LEU 97 Cb -0.18 -3.60 -0.33 0.00 0.50 0.00 0.00 46.19 42.58 1wfg s LEU 97 CO 0.08 -0.73 0.45 0.18 -1.32 0.00 0.00 176.35 175.01 1wfg n LEU 98 N 3.28 0.00 -4.50 -0.68 4.77 0.17 -4.67 117.00 115.38 1wfg n LEU 98 Ca 0.10 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.62 1wfg n LEU 98 Cb 0.40 0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1wfg n LEU 98 CO 0.60 0.02 1.88 0.00 -1.33 0.00 0.00 177.39 178.57 1wfg n GLN 99 N -2.27 1.19 0.00 3.23 6.02 -1.22 -0.22 117.38 124.11 1wfg n GLN 99 Ca -0.05 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1wfg n GLN 99 Cb 0.59 -2.73 0.00 0.00 1.02 0.00 0.00 30.24 29.12 1wfg n GLN 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wfg n GLY 100 N 6.29 3.07 3.33 1.08 0.00 0.87 -4.99 105.19 114.84 1wfg n GLY 100 Ca 0.40 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1wfg n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfg n ALA 101 N 0.00 -2.85 -1.78 4.61 0.00 0.69 -4.52 120.51 116.67 1wfg n ALA 101 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.33 1wfg n ALA 101 Cb 0.00 -1.53 0.20 0.00 0.00 0.00 0.00 19.45 18.12 1wfg n ALA 101 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wfg s THR 102 N -1.52 1.93 0.21 0.00 -4.23 -1.26 -3.05 115.64 107.71 1wfg s THR 102 Ca 0.61 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 61.03 1wfg s THR 102 Cb -0.69 -2.91 0.15 0.00 1.34 0.00 0.00 72.50 70.38 1wfg s THR 102 CO 0.61 0.00 1.79 0.15 -0.54 0.00 0.00 174.62 176.63 1wfg h PHE 103 N -1.83 1.13 -0.29 3.99 3.57 -1.81 -1.27 116.94 120.42 1wfg h PHE 103 Ca -0.44 -0.07 -0.18 0.00 3.53 0.00 0.00 57.97 60.80 1wfg h PHE 103 Cb 1.24 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1wfg h PHE 103 CO -1.38 0.84 -0.54 0.93 -2.23 0.00 0.00 178.31 175.93 1wfg h GLU 104 N 1.09 0.88 0.42 1.11 4.39 -1.93 -2.76 114.58 117.78 1wfg h GLU 104 Ca 0.26 -0.56 -0.02 0.00 0.34 0.00 0.00 59.36 59.38 1wfg h GLU 104 Cb 0.16 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1wfg h GLU 104 CO -0.03 1.19 -0.28 0.93 -1.16 0.00 0.00 179.01 179.66 1wfg h GLU 105 N 0.67 -0.64 -0.83 2.33 5.08 -1.84 0.98 114.58 120.33 1wfg h GLU 105 Ca 0.02 0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.62 1wfg h GLU 105 Cb 1.15 0.15 -0.15 0.00 0.50 0.00 0.00 28.75 30.40 1wfg h GLU 105 CO 0.12 -0.43 0.01 0.28 -1.00 0.00 0.00 179.01 177.99 1wfg h VAL 106 N -0.67 0.24 0.74 3.13 2.07 -1.33 0.18 116.25 120.62 1wfg h VAL 106 Ca -0.06 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1wfg h VAL 106 Cb 0.54 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1wfg h VAL 106 CO 0.04 0.01 -0.35 0.22 0.02 0.00 0.00 177.57 177.51 1wfg h TYR 107 N 0.08 -0.92 -0.96 1.57 5.03 -1.17 -2.65 116.97 117.95 1wfg h TYR 107 Ca 0.47 -0.02 0.21 0.00 2.58 0.00 0.00 58.73 61.96 1wfg h TYR 107 Cb 0.86 0.30 -0.18 0.00 1.55 0.00 0.00 36.73 39.26 1wfg h TYR 107 CO -0.46 -0.57 -0.19 -0.91 -1.32 0.00 0.00 178.16 174.71 1wfg h ASN 108 N -1.08 -0.82 -0.08 -2.11 2.35 0.22 0.45 115.58 114.51 1wfg h ASN 108 Ca -0.10 0.29 0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1wfg h ASN 108 Cb 0.76 0.58 -0.03 0.00 0.05 0.00 0.00 38.32 39.67 1wfg h ASN 108 CO 0.17 -0.32 -0.25 0.40 -1.65 0.00 0.00 177.43 175.78 1wfg h ILE 109 N 0.00 0.00 -0.99 2.81 2.04 -0.57 1.38 117.51 122.18 1wfg h ILE 109 Ca 0.48 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.55 1wfg h ILE 109 Cb 0.79 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.77 1wfg h ILE 109 CO -0.98 0.00 0.62 0.40 0.00 0.00 0.00 178.15 178.19 1wfg h ILE 110 N -0.25 0.66 -0.65 -0.67 2.04 -0.39 0.69 117.51 118.95 1wfg h ILE 110 Ca 0.02 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 1wfg h ILE 110 Cb 0.30 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 1wfg h ILE 110 CO -0.21 0.12 0.19 0.25 0.00 0.00 0.00 178.15 178.50 1wfg h LEU 111 N 0.64 0.92 -0.21 1.44 5.85 0.24 0.30 115.31 124.49 1wfg h LEU 111 Ca 0.57 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 59.13 1wfg h LEU 111 Cb 1.06 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1wfg h LEU 111 CO -0.34 0.87 0.00 -0.62 -0.34 0.00 0.00 178.44 178.01 1wfg n GLU 112 N -4.27 0.09 -0.44 1.25 1.02 0.45 -2.37 120.64 116.38 1wfg n GLU 112 Ca 0.05 0.25 0.07 0.00 -0.02 0.00 0.00 57.16 57.51 1wfg n GLU 112 Cb 0.22 -1.65 0.14 0.00 -0.02 0.00 0.00 31.44 30.13 1wfg n GLU 112 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wfg n SER 113 N -1.81 1.76 -0.01 1.62 7.64 -0.19 -4.72 113.62 117.91 1wfg n SER 113 Ca 0.04 -3.21 -0.13 0.00 1.01 0.00 0.00 58.87 56.58 1wfg n SER 113 Cb 0.25 -0.44 -0.10 0.00 -1.01 0.00 0.00 64.21 62.91 1wfg n SER 113 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1wfg h LYS 114 N 0.47 -0.04 0.00 1.43 1.57 -0.11 -3.22 116.57 116.67 1wfg h LYS 114 Ca -0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1wfg h LYS 114 Cb 1.12 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1wfg h LYS 114 CO 0.01 0.54 -0.13 -1.00 -0.57 0.00 0.00 179.45 178.30 1wfg h PRO 115 N -0.67 0.00 -5.67 3.15 0.13 -1.85 -3.40 132.00 123.70 1wfg h PRO 115 Ca -0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 1wfg h PRO 115 Cb 0.60 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.88 1wfg h PRO 115 CO 0.01 0.13 -0.88 0.39 -0.23 0.00 0.00 178.00 177.41 1wfg n GLU 116 N -3.19 0.00 0.06 0.86 -0.58 -1.22 -4.86 120.64 111.72 1wfg n GLU 116 Ca 0.02 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.65 1wfg n GLU 116 Cb 0.47 -0.94 -0.01 0.00 -0.57 0.00 0.00 31.44 30.38 1wfg n GLU 116 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1wfg h PRO 117 N 0.32 0.37 -5.03 3.49 0.13 -1.90 -3.47 132.00 125.92 1wfg h PRO 117 Ca -0.34 -0.36 -0.47 0.00 -0.87 0.00 0.00 66.00 63.95 1wfg h PRO 117 Cb 1.37 0.09 -0.14 0.00 0.13 0.00 0.00 31.00 32.45 1wfg h PRO 117 CO 0.45 1.03 -0.56 1.14 -0.23 0.00 0.00 178.00 179.82 1wfg s GLN 118 N -3.39 1.71 -0.16 0.86 -2.07 -1.26 -2.63 119.66 112.71 1wfg s GLN 118 Ca -0.05 -1.99 -0.07 0.00 -1.82 0.00 0.00 55.36 51.42 1wfg s GLN 118 Cb 0.10 -0.51 0.06 0.00 -1.09 0.00 0.00 33.01 31.57 1wfg s GLN 118 CO 0.85 -0.37 0.36 0.08 -1.32 0.00 0.00 175.29 174.89 1wfg s VAL 119 N -3.40 -0.22 -0.31 3.63 1.01 0.79 -4.96 120.40 116.93 1wfg s VAL 119 Ca 0.32 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.41 1wfg s VAL 119 Cb 0.05 -0.56 0.05 0.00 0.00 0.00 0.00 36.38 35.92 1wfg s VAL 119 CO 0.15 0.06 0.03 -0.70 0.00 0.00 0.00 175.10 174.65 1wfg s GLU 120 N 1.79 2.50 0.30 2.72 2.12 -1.26 0.16 118.70 127.03 1wfg s GLU 120 Ca -0.06 -1.23 0.05 0.00 0.36 0.00 0.00 54.97 54.08 1wfg s GLU 120 Cb -0.10 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 31.00 1wfg s GLU 120 CO -0.11 -0.63 0.44 -0.51 -0.54 0.00 0.00 175.26 173.91 1wfg s LEU 121 N 1.30 4.12 -0.24 2.70 1.02 0.21 0.21 118.68 128.01 1wfg s LEU 121 Ca -0.04 0.04 -0.03 0.00 0.02 0.00 0.00 54.13 54.12 1wfg s LEU 121 Cb -0.20 -2.90 0.12 0.00 0.02 0.00 0.00 46.19 43.23 1wfg s LEU 121 CO 0.00 -0.27 0.29 -0.69 0.02 0.00 0.00 176.35 175.71 1wfg s VAL 122 N -2.13 -0.44 0.24 -1.59 1.01 -0.85 -1.92 120.40 114.73 1wfg s VAL 122 Ca 0.40 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.26 1wfg s VAL 122 Cb -0.09 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1wfg s VAL 122 CO 0.31 -0.24 0.13 0.54 0.00 0.00 0.00 175.10 175.83 1wfg s VAL 123 N 2.41 4.14 0.00 2.92 0.11 0.77 0.27 120.40 131.02 1wfg s VAL 123 Ca 0.09 -1.52 0.06 0.00 -2.93 0.00 0.00 61.98 57.69 1wfg s VAL 123 Cb -0.15 -3.21 -0.02 0.00 -1.53 0.00 0.00 36.38 31.47 1wfg s VAL 123 CO -0.19 -0.32 -0.18 -0.44 -3.33 0.00 0.00 175.10 170.64 1wfg s SER 124 N -3.68 2.13 0.27 3.54 0.01 -1.10 0.04 113.70 114.91 1wfg s SER 124 Ca 0.32 -0.38 0.08 0.00 1.31 0.00 0.00 55.95 57.29 1wfg s SER 124 Cb -0.08 -0.22 -0.06 0.00 0.21 0.00 0.00 66.02 65.88 1wfg s SER 124 CO 0.23 0.19 -0.11 -0.13 0.41 0.00 0.00 173.24 173.83 1wfg s ARG 125 N -0.64 1.56 -0.35 12.44 0.52 0.55 -4.50 118.95 128.55 1wfg s ARG 125 Ca 0.07 -1.76 -0.06 0.00 -0.52 0.00 0.00 55.73 53.45 1wfg s ARG 125 Cb -0.07 -1.34 0.04 0.00 0.52 0.00 0.00 34.95 34.11 1wfg s ARG 125 CO -0.00 0.14 0.12 -1.54 0.02 0.00 0.00 175.30 174.03 1wfg s SER 126 N -3.45 5.34 1.00 0.23 1.04 -1.26 0.14 113.70 116.74 1wfg s SER 126 Ca 0.28 -1.20 -0.21 0.00 0.48 0.00 0.00 55.95 55.30 1wfg s SER 126 Cb 0.01 -1.88 -0.14 0.00 0.10 0.00 0.00 66.02 64.12 1wfg s SER 126 CO 0.12 -0.35 -0.95 0.61 0.98 0.00 0.00 173.24 173.65 1wfg n GLY 127 N 4.81 -3.70 3.75 7.32 0.00 0.53 -4.86 105.19 113.04 1wfg n GLY 127 Ca -0.12 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1wfg n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfg s PRO 128 N -2.22 4.62 -0.28 1.61 0.04 -1.26 -4.99 135.00 132.52 1wfg s PRO 128 Ca 0.41 1.76 -0.36 0.00 0.04 0.00 0.00 61.00 62.85 1wfg s PRO 128 Cb -0.07 -3.23 0.16 0.00 0.04 0.00 0.00 34.50 31.40 1wfg s PRO 128 CO 0.74 0.15 1.37 -1.54 0.04 0.00 0.00 177.00 177.76 1wfg s SER 129 N -0.51 -0.02 -0.03 6.66 1.04 -1.26 -5.13 113.70 114.45 1wfg s SER 129 Ca 0.47 0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.94 1wfg s SER 129 Cb -0.31 0.02 -0.00 0.00 0.10 0.00 0.00 66.02 65.83 1wfg s SER 129 CO 0.38 -0.03 -0.12 -0.44 0.98 0.00 0.00 173.24 174.01 1wfg s SER 130 N -1.81 1.49 0.00 7.02 0.01 -1.26 -5.25 113.70 113.90 1wfg s SER 130 Ca 0.11 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1wfg s SER 130 Cb -0.01 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1wfg s SER 130 CO -0.04 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.33